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Compound Detail

CHEMBL5763828

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C[C@](O)(CN1CCc2cc(Br)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL5763828
Phase Preclinical
Structure Type MOL
InChI Key CEYWGAYFMHMNAF-IBGZPJMESA-N
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.3
MW (Da)
4.09
ALogP
4
HBA
2
HBD
76.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17BrF3N3O2
MW 468.27
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.46

Activity Summary

Ki 3 meas. best 6.7
IC50 2 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
Ki 6.7 6.7 198.0 3
Androgen receptor
CHEMBL1871
IC50 6.28 6.28 531.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine